Glc(b1-3)[coumaroyl(-4)]Glc(b)-O-EtPh(4-OH)
| Internal ID | 5493f3a1-f279-48df-8be7-0d78bbf21fa9 |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters |
| IUPAC Name | [(2R,3R,4R,5R,6R)-5-hydroxy-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)OC(=O)C=CC3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O)O)O |
| SMILES (Isomeric) | C1=CC(=CC=C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)/C=C/C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O |
| InChI | InChI=1S/C29H36O14/c30-13-19-22(35)23(36)24(37)29(40-19)43-27-25(38)28(39-12-11-16-3-8-18(33)9-4-16)41-20(14-31)26(27)42-21(34)10-5-15-1-6-17(32)7-2-15/h1-10,19-20,22-33,35-38H,11-14H2/b10-5+/t19-,20-,22-,23+,24-,25-,26-,27-,28-,29+/m1/s1 |
| InChI Key | LWPFQTHPOZZLJT-VRDRBYPTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C29H36O14 |
| Molecular Weight | 608.60 g/mol |
| Exact Mass | 608.21050582 g/mol |
| Topological Polar Surface Area (TPSA) | 225.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of Glc(b1-3)[coumaroyl(-4)]Glc(b)-O-EtPh(4-OH)](https://plantaedb.com/storage/docs/compounds/2023/11/glcb1-3coumaroyl-4glcb-o-etph4-oh.jpg "2D Structure of Glc(b1-3)[coumaroyl(-4)]Glc(b)-O-EtPh(4-OH)")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.28% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.24% | 94.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.81% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.55% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.00% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 90.83% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 90.25% | 96.00% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.06% | 86.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.80% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.73% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.23% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.15% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.27% | 91.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.75% | 97.09% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 83.57% | 96.37% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.74% | 85.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 82.49% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.26% | 95.89% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.89% | 94.23% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 80.73% | 89.67% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Plantago lanceolata |
| PubChem | 163194097 |
| LOTUS | LTS0136295 |
| wikiData | Q105158481 |